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Analysis of the U L<sub>3</sub>-edge X-ray absorption spectra in UO<sub>2</sub> using molecular dynamics simulations
Bocharov, D., Chollet, M., Krack, M., Bertsch, J., Grolimund, D., Martin, M., … Kotomin, E. (2017). Analysis of the U L3-edge X-ray absorption spectra in UO2 using molecular dynamics simulations. Progress in Nuclear Energy, 94, 187-193. https://doi.org/10.1016/j.pnucene.2016.07.017
Ab initio molecular dynamics simulations of the Sc K-edge EXAFS of scandium trifluoride
Bocharov, D., Krack, M., Kalinko, A., Purans, J., Rocca, F., Ali, S. E., & Kuzmin, A. (2016). Ab initio molecular dynamics simulations of the Sc K-edge EXAFS of scandium trifluoride. In J. D. Grunwaldt, M. Hagelstein, & J. Rothe (Eds.), Journal of physics: conference series: Vol. 712. 16th international conference on X-ray absorption fine structure (XAFS16) (p. 012009 (4 pp.). https://doi.org/10.1088/1742-6596/712/1/012009
Interpretation of the U L<sub>3</sub>-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations
Bocharov, D., Chollet, M., Krack, M., Bertsch, J., Grolimund, D., Martin, M., … Kotomin, E. (2016). Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations. In Journal of physics: conference series: Vol. 712. 16th international conference on X-ray absorption fine structure (XAFS16) (p. 12091 (4 pp.). https://doi.org/10.1088/1742-6596/712/1/012091